N-[(E)-1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)amino]-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide

C21H25N3O3 — CID 18859858

IUPACN-[(E)-1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)amino]-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(/C=C(/NC(=O)C(C)(C)C)C(=O)Nc2cccc(C)n2)cc1
InChIInChI=1S/C21H25N3O3/c1-14-7-6-8-18(22-14)24-19(25)17(23-20(26)21(2,3)4)13-15-9-11-16(27-5)12-10-15/h6-13H,1-5H3,(H,23,26)(H,22,24,25)/b17-13+
InChIKeyQWQUKKMXBAQZIU-GHRIWEEISA-N
MW367.45 g/mol
LogP3.54
Rot. Bonds5

About N-[(E)-1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)amino]-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide

N-[(E)-1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)amino]-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide (PubChem CID 18859858) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[(E)-1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)amino]-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(E)-1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)amino]-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide
PubChem CID18859858
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[(E)-1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)amino]-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(/C=C(/NC(=O)C(C)(C)C)C(=O)Nc2cccc(C)n2)cc1
InChIInChI=1S/C21H25N3O3/c1-14-7-6-8-18(22-14)24-19(25)17(23-20(26)21(2,3)4)13-15-9-11-16(27-5)12-10-15/h6-13H,1-5H3,(H,23,26)(H,22,24,25)/b17-13+
InChIKeyQWQUKKMXBAQZIU-GHRIWEEISA-N
XLogP3.54
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(E)-1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)amino]-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-N-[(E)-3-[(6-methyl-2-pyridinyl)amino]-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]propanamide
CID 18859946
N-[(E)-1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)amino]-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide
CID 18859872
(E)-3-(4-tert-butylphenyl)-2-cyano-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 948947
N'-tert-butyl-N-(6-methyl-2-pyridinyl)oxamide
CID 44997660
4-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-2,4-dioxobutanamide
CID 3075421
N-[(E)-1-(2-methoxyphenyl)-3-oxo-3-(pyridin-2-ylamino)prop-1-en-2-yl]-2,2-dimethylpropanamide
CID 18860128
2-(4-methoxyphenoxy)-N-(6-methyl-2-pyridinyl)acetamide
CID 3146339
2,2-dimethyl-N-[(E)-3-(naphthalen-1-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]propanamide
CID 18859812
N-[(E)-1-(3,4-dimethoxyphenyl)-3-(2-methoxyanilino)-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide
CID 18860017
2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-2-pyridinyl)propanamide
CID 800401
2-cyano-3-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 3336662
(E)-N-(6-methyl-2-pyridinyl)-2,3-diphenylprop-2-enamide
CID 889937

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)amino]-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(E)-1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)amino]-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide (CID 18859858) is N-[(E)-1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)amino]-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(E)-1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)amino]-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(E)-1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)amino]-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide is COc1ccc(/C=C(/NC(=O)C(C)(C)C)C(=O)Nc2cccc(C)n2)cc1.
What is the InChIKey of N-[(E)-1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)amino]-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide?
The InChIKey is QWQUKKMXBAQZIU-GHRIWEEISA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14-7-6-8-18(22-14)24-19(25)17(23-20(26)21(2,3)4)13-15-9-11-16(27-5)12-10-15/h6-13H,1-5H3,(H,23,26)(H,22,24,25)/b17-13+.
What are the key properties of N-[(E)-1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)amino]-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide?
N-[(E)-1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)amino]-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide has a molecular weight of 367.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)amino]-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 18859858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).